Basic information
- CAS
648859-81-8- Standard SMILES
COC(=O)c1csc2c(C(F)(F)F)cc(Cl)nc12- InChIKey
GVXHSMAJJFVLGD-UHFFFAOYSA-N- Molecular formula
- C10H5ClF3NO2S
- Average molar mass
- 295.67 g/mol
- Monoisotopic mass
- 294.9681618
Names & identifiers
- Preferred name
- Methyl 5-chloro-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate
- IUPAC
- methyl 5-chloro-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate
- English name
- Methyl 5-chloro-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate
- Molecular formula
- C10H5ClF3NO2S
- Molecular weight
- 295.67
Names & synonyms
methyl 5-chloro-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate648859-81-8SCHEMBL21813966DTXSID90381653GVXHSMAJJFVLGD-UHFFFAOYSA-NMFCD01312365AT23250DB-008638CS-0438380A1-40542Methyl5-chloro-7-(trifluoromethyl)thieno[3,2-B]pyridine-3-carboxylateMETHYL 5-CHLORO-7-(TRIFLUOROMETHYL)THIENO3,2-BPYRIDINE-3-CARBOXYLATE?
Show more names
5-chloro-7-(trifluoromethyl)-3-thieno[3,2-b]pyridinecarboxylic acid methyl esterThieno[3,2-b]pyridine-3-carboxylic acid, 5-chloro-7-(trifluoromethyl)-, methyl ester
Database identifiers
- CAS
648859-81-8- PubChem CID
- 2780353
- DTXSID
DTXSID90381653
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 342
Physicochemical properties
- Melting point
- 109.5 °C · 109.5 °C
- Boiling point
- 346.1 · 346.1±37.0 °C(Predicted)
- Density
- 1.559 · 1.559±0.06 g/cm3(Predicted)
- pka
- -5.74 · -5.74±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers8 total
上海恩诺生物科技有限公司+86 (21) 6435-5022
杭州辅润医药科技有限公司15658004993 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海喀露蓝科技有限公司18149758185 18149758185 · [email protected]
杭州六可生物科技有限公司+86-0571-86912261 +86-15658003402 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海梅凯科技有限公司15300790979 18964014359 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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